CHEBI:82220 - atraton

ChEBI IDCHEBI:82220
ChEBI Nameatraton
Stars
DefinitionA diamino-1,3,5-triazine that is N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a methoxy group at position 6. It is an agrochemical used as a herbicide.
Last Modified17 November 2014
DownloadsMolfile
FormulaC9H17N5O
Net Charge0
Average Mass211.269
Monoisotopic Mass211.14331
SMILESCCNc1nc(NC(C)C)nc(OC)n1
InChIInChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
InChIKeyPXWUKZGIHQRDHL-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Applications:
herbicide  A substance used to destroy plant pests.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
atraton (CHEBI:82220) has role agrochemical (CHEBI:33286)
atraton (CHEBI:82220) has role environmental contaminant (CHEBI:78298)
atraton (CHEBI:82220) has role herbicide (CHEBI:24527)
atraton (CHEBI:82220) has role xenobiotic (CHEBI:35703)
atraton (CHEBI:82220) is a diamino-1,3,5-triazine (CHEBI:38170)
atraton (CHEBI:82220) is a methoxy-1,3,5-triazine (CHEBI:38177)
IUPAC Name 
N-ethyl-6-methoxy-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
Synonyms  Source
2-Methoxy-4-ethylamino-6-isopropylamino-s-triazineChemIDplus
2-Methoxy-4-isopropylamino-6-ethylamino-s-triazineChemIDplus
Manual XrefsDatabases
C19098KEGG COMPOUND
atratonAlan Wood's Pesticides
WO2008062557Patent
1692PPDB
Registry NumbersSources
Reaxys:613098Reaxys
CAS:1610-17-9KEGG COMPOUND
CAS:1610-17-9NIST Chemistry WebBook
CAS:1610-17-9ChemIDplus
Citations